piperidin-3-yl-(3-propan-2-ylimidazol-4-yl)methanone

C12H19N3O — CID 84735301

IUPACpiperidin-3-yl-(3-propan-2-ylimidazol-4-yl)methanone
SMILESCC(C)n1cncc1C(=O)C1CCCNC1
InChIInChI=1S/C12H19N3O/c1-9(2)15-8-14-7-11(15)12(16)10-4-3-5-13-6-10/h7-10,13H,3-6H2,1-2H3
InChIKeyALCIDZFKMOUXHA-UHFFFAOYSA-N
MW221.30 g/mol
LogP1.65
Rot. Bonds3

About piperidin-3-yl-(3-propan-2-ylimidazol-4-yl)methanone

piperidin-3-yl-(3-propan-2-ylimidazol-4-yl)methanone (PubChem CID 84735301) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is piperidin-3-yl-(3-propan-2-ylimidazol-4-yl)methanone.

Molecular Properties

Compound Namepiperidin-3-yl-(3-propan-2-ylimidazol-4-yl)methanone
PubChem CID84735301
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC Namepiperidin-3-yl-(3-propan-2-ylimidazol-4-yl)methanone
SMILESCC(C)n1cncc1C(=O)C1CCCNC1
InChIInChI=1S/C12H19N3O/c1-9(2)15-8-14-7-11(15)12(16)10-4-3-5-13-6-10/h7-10,13H,3-6H2,1-2H3
InChIKeyALCIDZFKMOUXHA-UHFFFAOYSA-N
XLogP1.65
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of piperidin-3-yl-(3-propan-2-ylimidazol-4-yl)methanone?
The IUPAC name of piperidin-3-yl-(3-propan-2-ylimidazol-4-yl)methanone (CID 84735301) is piperidin-3-yl-(3-propan-2-ylimidazol-4-yl)methanone.
What is the SMILES notation for piperidin-3-yl-(3-propan-2-ylimidazol-4-yl)methanone?
The canonical SMILES for piperidin-3-yl-(3-propan-2-ylimidazol-4-yl)methanone is CC(C)n1cncc1C(=O)C1CCCNC1.
What is the InChIKey of piperidin-3-yl-(3-propan-2-ylimidazol-4-yl)methanone?
The InChIKey is ALCIDZFKMOUXHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c1-9(2)15-8-14-7-11(15)12(16)10-4-3-5-13-6-10/h7-10,13H,3-6H2,1-2H3.
What are the key properties of piperidin-3-yl-(3-propan-2-ylimidazol-4-yl)methanone?
piperidin-3-yl-(3-propan-2-ylimidazol-4-yl)methanone has a molecular weight of 221.30 g/mol, XLogP of 1.65, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for piperidin-3-yl-(3-propan-2-ylimidazol-4-yl)methanone is sourced from PubChem (CID 84735301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).